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Merging multiconfigurational wavefunctions and correlation functionals to predict magnetic coupling constants.

Ángel J. Pérez-JiménezJosé M. Pérez-JordáIbério de Pinho Ribeiro MoreiraFrancesc Illas
Published in: J. Comput. Chem. (2007)
Keyphrases
  • special case
  • magnetic field
  • higher order
  • merging algorithm
  • neural network
  • correlation analysis
  • read write
  • predicting future